Methyl 5-Chloro-2-thiophenecarboxylate - CAS 35475-03-7

Catalog:	BB022649
Product Name:	Methyl 5-Chloro-2-thiophenecarboxylate
CAS:	35475-03-7
Synonyms:	5-chloro-2-thiophenecarboxylic acid methyl ester; methyl 5-chlorothiophene-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-chlorothiophene-2-carboxylate
Description:	Methyl 5-Chloro-2-thiophenecarboxylate (CAS# 35475-03-7) is a useful research chemical.
Molecular Weight:	176.62
Molecular Formula:	C6H5ClO2S
Canonical SMILES:	COC(=O)C1=CC=C(S1)Cl
InChI:	InChI=1S/C6H5ClO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
InChI Key:	SQVGSFPLDUMEDG-UHFFFAOYSA-N
LogP:	2.18810

Publication Number	Title	Priority Date
CN-112940004-A	Heterocyclic compound and application thereof	20191211
WO-2020216919-A1	ARYLSULFONYLTHIOPHENECARBOXAMIDES AND ARYLSULFONYLFURANCARBOXAMIDES AS KÎ½3 POTASSIUM CHANNEL ACTIVATORS	20190426
CN-113039181-A	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20180816
WO-2019193159-A1	Bumetanide derivatives for the therapy of hyperhidrosis	20180406
AU-2019247641-A1	Bumetanide derivatives for the therapy of hyperhidrosis	20180406

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.9698783
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.9698783
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8